⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL28757660 | 0.92 | TSHR (0.67) | — | |
| SCHEMBL351608 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL28117030 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL9815185 | 0.90 | TSHR (0.71) | — | |
| SCHEMBL5316010 | 0.89 | TSHR (0.78) | — | |
| SCHEMBL7180877 | 0.86 | TSHR (0.75) | — | |
| SCHEMBL7736558 | 0.85 | TSHR (0.50) | — | |
| SCHEMBL10433616 | 0.82 | — | — | |
| Pentanal SCHEMBL2938309 | 0.82 | — | — | |
| Pentanal SCHEMBL28721 | 0.82 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3684374-A1 | 4'-FLUORO-2'-METHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION | Riboscience LLC (US) | 2020-07-29 | — | — | EP | disclosed |
| WO-2019060740-A1 | 4'-FLUORO-2'-METHYL SUBSTITUTED NUCLEOSIDE DERIVATIVES AS INHIBITORS OF HCV RNA REPLICATION | RIBOSCIENCE LLC (US) | 2019-03-28 | — | — | WO | disclosed |
| EP-1455579-A1 | PYRAZOLES-PYRIMIDINE FUNGICIDES | Syngenta Participations AG (CH) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003049542-A1 | PYRAZOLES-PYRIMIDINE FUNGICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2003-06-19 | — | — | WO | disclosed |
| US-5510326-A | SYNTHETIC ODORANT; PERFUMES | GIVAUDAN-ROURE CORPORATION (US) | 1996-04-23 | — | — | US | disclosed |